SCHEMBL1509440

SCHEMBL1509440

CCCCNC(=O)Cc1cc(-c2ccc(OCCC)cc2C(F)(F)F)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1509422 0.94 SMN1; SMN2 (0.37) HDAC4HDAC6HTTTHRATHRB
SCHEMBL1509420 0.92 SMN1; SMN2 (0.36) HTTTHRATHRBALDH1A1MAPT
SCHEMBL1509405 0.89 ALK (0.37) HDAC4HDAC6HTTTHRATHRB
SCHEMBL1509384 0.89 ALK (0.37) HDAC4HDAC6HTTTHRATHRB
SCHEMBL1509402 0.89 ALK (0.37) HDAC4HDAC6HTTTHRATHRB
SCHEMBL1509457 0.89 PDK2 (0.38) HDAC4THRATHRBALDH1A1MAPT
SCHEMBL1509398 0.87 VHL (0.46) HDAC4HDAC6THRATHRBALDH1A1
SCHEMBL1436664 0.85 MAPT (0.43) THRATHRBALDH1A1MAPTKMT2A
SCHEMBL1509418 0.82 THRA (0.36) THRATHRBALDH1A1MAPTKMT2A
SCHEMBL3718958 0.81 ACACB (0.39) THRATHRBALDH1A1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO claimed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed